Crystal structure of alpha-MnO2 analyzed by Rietveld refinements and MEM-based pattern fitting
Inquiry number
SOL-0000000875
Beamline
BL15XU (RIKEN Materials Science III)
Scientific keywords
| A. Sample category | inorganic material |
|---|---|
| B. Sample category (detail) | solid-state crystal |
| C. Technique | X-ray diffraction |
| D. Technique (detail) | powder diffraction |
| E. Particular condition | |
| F. Photon energy | X-ray (4-40 keV) |
| G. Target information | structure analysis, crystal structure |
Industrial keywords
| level 1---Application area | others |
|---|---|
| level 2---Target | |
| level 3---Target (detail) | |
| level 4---Obtainable information | crystal structure |
| level 5---Technique | diffraction |
Classification
A80.30 inorganic material, M10.20 powder diffraction
Body text
This example shows a powder X-ray diffraction crystal structure analysis of alpha-MnO2. The crystal structure is refined by Rietveld method and the electron density is calculated by Maximum Entropy Method. Alpha-MnO2 single crystal is hard to synthesize and single crystal structure analysis has not been carried out yet, but we have been successful in the Electron density obtained by powder diffraction experiment at BL15XU.
[ N. Kijima, T. Ikeda, K. Oikawa, F. Izumi and Y. Yoshimura, Journal of Solid State Chemistry 177, 1258-1267 (2004), Fig. 6,
©2004 Elsevier, Inc. ]
Source of the figure
Original paper/Journal article
Journal title
Journal of Solid State Chemistry 177(2004) 1258-1267
Figure No.
Figure 6
Technique
Electron density map can be obtained by Maximum Entropy Method from powder X-ray diffraction intensity data. In this example, Electron density of alpha-MnO2, which single crystal is hard to synthesis, is obtained by powder X-ray diffraction experiment.
Source of the figure
No figure
Required time for experimental setup
8 hour(s)
Instruments
| Instrument | Purpose | Performance |
|---|---|---|
| Powder X-Ray Diffraction | Powder Crystal Structure Analysis |
References
| Document name |
|---|
| Journal of Solid State Chemistry 177(2004) 1258-1267 |
Related experimental techniques
Questionnaire
This solution is an application of a main instrument of the beamline.
Ease of measurement
Middle
Ease of analysis
With a great skill
How many shifts were needed for taking whole data in the figure?
More than ten shifts